data_global
_chemical_name_mineral 'Norbergite'
loop_
_publ_author_name
'Camara F'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 35 
_journal_year 1997
_journal_page_first 1523
_journal_page_last 1530
_publ_section_title
;
 New data on the structure of norbergite: location of hydrogen
 by X-ray diffraction
 Sample: HV47 N1
;
_database_code_amcsd 0005536
_chemical_formula_sum '(Mg2.979 Fe.021) (Si.985 B.015) H.478 O4.486 F1.514'
_cell_length_a 4.711
_cell_length_b 10.275
_cell_length_c 8.805
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 426.211
_exptl_crystal_density_diffrn      3.155
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgM2   0.99135   0.90588   0.25000   0.99300 ?
FeM2   0.99135   0.90588   0.25000   0.00700 ?
MgM3   0.98980   0.63318   0.43066   0.99300 ?
FeM3   0.98980   0.63318   0.43066   0.00700 ?
Si   0.42001   0.71963   0.25000   0.98500 ?
B   0.42001   0.71963   0.25000   0.01500 ?
H   0.89000   0.98900  -0.01300   0.23900   0.04248
O1   0.76194   0.72125   0.25000   1.00000 ?
O2   0.27753   0.57414   0.25000   1.00000 ?
O3   0.27010   0.79103   0.10426   1.00000 ?
F5   0.73479   0.96787   0.08149   0.75700 ?
O5   0.73479   0.96787   0.08149   0.24300 ?
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
MgM2 0.00595 0.00557 0.00938 0.00035 0.00000 0.00000
FeM2 0.00595 0.00557 0.00938 0.00035 0.00000 0.00000
MgM3 0.00606 0.00613 0.00560 -0.00029 0.00056 0.00023
FeM3 0.00606 0.00613 0.00560 -0.00029 0.00056 0.00023
Si 0.00356 0.00500 0.00460 0.00007 0.00000 0.00000
B 0.00356 0.00500 0.00460 0.00007 0.00000 0.00000
O1 0.00362 0.00714 0.00632 -0.00008 0.00000 0.00000
O2 0.00607 0.00517 0.00753 0.00005 0.00000 0.00000
O3 0.00542 0.00675 0.00524 -0.00014 -0.00019 0.00116
F5 0.00999 0.00745 0.00924 0.00086 -0.00287 -0.00027
O5 0.00999 0.00745 0.00924 0.00086 -0.00287 -0.00027